Conformational mapping of fatty acids in ordered and disordered phases: A spectroscopic study

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Abstract
The infrared active CD2 rocking vibration of selectively deuterated palmitic and stearic acids is used as a probe for the mapping of the local conformation of these molecules in the solid and liquid phases. The infrared spectra at different temperatures are analyzed and interpreted by means of normal coordinate calculations and conformational energy calculations. Evidence is collected that in the C solid modification molecules are fully trans planar. The cooperatively distorted local conformation of the carboxyl group in the liquid phase is discussed.